SCHEMBL3514563

SCHEMBL3514563

CC(NC(=O)c1cccnc1OCc1ccccc1)C(N)=O

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.56
CNR1 P21554 5/20 0.56
MAPK8 P45983 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 1/20 0.47
UGCG Q16739 2/20 0.46
ATM Q13315 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SGMS2 Q8NHU3 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27668367 0.79 L3MBTL1 (0.58) CNR2CNR1MAPK8L3MBTL1ALDH1A1
SCHEMBL5812840 0.79 CNR2 (0.59) CNR2CNR1MAPK8L3MBTL1ALDH1A1
SCHEMBL15132068 0.76 L3MBTL1 (0.62) CNR2CNR1MAPK8L3MBTL1RAB9A
SCHEMBL3604199 0.76 L3MBTL1 (0.61) CNR2CNR1MAPK8L3MBTL1ALDH1A1
SCHEMBL3653245 0.74 GRM5 (0.55)
SCHEMBL3653248 0.74 GRM5 (0.55)
SCHEMBL1335369 0.73 CAPN1 (0.53) CNR2CNR1
SCHEMBL31261717 0.72 SGMS2 (0.76) RAB9ASGMS2
SCHEMBL8802376 0.72 PARP1 (0.59) CNR2CNR1L3MBTL1ALDH1A1NPC1
SCHEMBL591895 0.71 CTSK (0.59) ATM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100247543-A1 TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES ORYZON GENOMICS, S.A. (ES) 2010-09-30 US disclosed